| Entry |
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| Name |
Saracatinib difumarate (USAN)
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| Formula |
C27H32ClN5O5. (C4H4O4)2
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| Exact mass |
773.2311
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| Mol weight |
774.1708
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| Structure |
     |
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| Activity |
Treatment of cancer
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| Target |
abl tyrosine kinase inhibitor [HSA: 25] [KO: K06619]; src tyrosine kinase inhibitor [HSA: 6714] [KO: K05704] |
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| Pathway |
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| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Tyrosine protein kinases
Abl family
Abl [HSA:25] [KO:K06619]
Saracatinib
D09665 Saracatinib difumarate (USAN)
Src family
Src tyrosine kinase [HSA:6714] [KO:K05704]
Saracatinib
D09665 Saracatinib difumarate (USAN)
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| Other DBs |
CAS: 893428-72-3 PubChem: LigandBox: |
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| KCF data |
ATOM 54
1 C8x C 18.9000 -20.3700
2 C8y C 18.9000 -18.9700
3 C8x C 20.0900 -18.2700
4 C8y C 21.3500 -18.9700
5 C8y C 21.3500 -20.3700
6 C8y C 20.0900 -21.0700
7 N5x N 22.5400 -18.2700
8 C8x C 23.7300 -18.9700
9 N5x N 23.7300 -20.3700
10 C8y C 22.5400 -21.0700
11 O2a O 20.0900 -22.4700
12 N1b N 22.5400 -22.4700
13 C8y C 23.7300 -23.1700
14 C1y C 18.9000 -23.1700
15 C1x C 18.9000 -24.5700
16 C1x C 17.6400 -25.2700
17 O2x O 16.4500 -24.5700
18 C1x C 16.4500 -23.1700
19 C1x C 17.6400 -22.4700
20 O2a O 17.7100 -18.2700
21 C1b C 16.5200 -18.9700
22 C1b C 15.3300 -18.2700
23 N1y N 14.1400 -18.9700
24 C1x C 14.1400 -20.3700
25 C1x C 12.8800 -21.0700
26 N1y N 11.6900 -20.3700
27 C1x C 11.6900 -18.9700
28 C1x C 12.8800 -18.2700
29 C1a C 10.5000 -21.0700
30 C8y C 24.9200 -22.4700
31 C8x C 26.1800 -23.1700
32 C8x C 26.1800 -24.5700
33 C8y C 24.9900 -25.2700
34 C8y C 23.7300 -24.5700
35 X Cl 24.9200 -21.0700
36 O2x O 24.6400 -26.6700
37 C1x C 23.3100 -26.8100
38 O2x O 22.6800 -25.4800
39 O6a O 29.2600 -22.7500
40 C6a C 30.4724 -22.0500
41 C2b C 31.6849 -22.7500
42 C2b C 32.8973 -22.0500
43 C6a C 34.1097 -22.7500
44 O6a O 35.3222 -22.0500
45 O6a O 30.4724 -20.6502
46 O6a O 34.1097 -24.1499
47 O6a O 29.2600 -22.7500
48 C6a C 30.4724 -22.0500
49 C2b C 31.6849 -22.7500
50 C2b C 32.8973 -22.0500
51 C6a C 34.1097 -22.7500
52 O6a O 35.3222 -22.0500
53 O6a O 34.1097 -24.1499
54 O6a O 30.4724 -20.6502
BOND 57
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 1
13 10 12 1
14 12 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 2 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 26 29 1
33 13 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 13 34 1
39 30 35 1
40 33 36 1
41 36 37 1
42 37 38 1
43 34 38 1
44 39 40 1
45 40 41 1
46 41 42 2
47 42 43 1
48 43 44 1
49 40 45 2
50 43 46 2
51 47 48 1
52 48 49 1
53 49 50 2
54 50 51 1
55 51 52 1
56 48 54 2
57 51 53 2
BRACKET 1 27.8600 -24.6400 27.8600 -20.0200
1 36.4700 -20.0200 36.4700 -24.6400
1 2
ORIGINAL 1 39 40 41 42 43 44 46 45
REPEAT 1 47 48 49 50 51 52 53 54
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